Geometry & MOs

Info

ID:	375241
PubChem CID:	131481025
Reduced:	N3O3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	184.10342
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	5.8
IP(EA), eV:	-10.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4S,5R)-5-aminothiepan-4-yl]propanenitrile

Drug info:

PubChemData

Smile

CNCC(C1=NC(=O)NC(=O)C1)O

DOS

IR

Vibrations